4-hydroxy-4-(3-methyl-1,2-thiazol-5-yl)cyclohexan-1-one

C10H13NO2S — CID 59556124

IUPAC4-hydroxy-4-(3-methyl-1,2-thiazol-5-yl)cyclohexan-1-one
SMILESCc1cc(C2(O)CCC(=O)CC2)sn1
InChIInChI=1S/C10H13NO2S/c1-7-6-9(14-11-7)10(13)4-2-8(12)3-5-10/h6,13H,2-5H2,1H3
InChIKeyFWTTWWBIHSZGNQ-UHFFFAOYSA-N
MW211.29 g/mol
LogP1.78
Rot. Bonds1

About 4-hydroxy-4-(3-methyl-1,2-thiazol-5-yl)cyclohexan-1-one

4-hydroxy-4-(3-methyl-1,2-thiazol-5-yl)cyclohexan-1-one (PubChem CID 59556124) has the molecular formula C10H13NO2S and a molecular weight of 211.29 g/mol. Its IUPAC name is 4-hydroxy-4-(3-methyl-1,2-thiazol-5-yl)cyclohexan-1-one.

Molecular Properties

Compound Name4-hydroxy-4-(3-methyl-1,2-thiazol-5-yl)cyclohexan-1-one
PubChem CID59556124
Molecular FormulaC10H13NO2S
Molecular Weight211.29 g/mol
Exact Mass211.07
IUPAC Name4-hydroxy-4-(3-methyl-1,2-thiazol-5-yl)cyclohexan-1-one
SMILESCc1cc(C2(O)CCC(=O)CC2)sn1
InChIInChI=1S/C10H13NO2S/c1-7-6-9(14-11-7)10(13)4-2-8(12)3-5-10/h6,13H,2-5H2,1H3
InChIKeyFWTTWWBIHSZGNQ-UHFFFAOYSA-N
XLogP1.78
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.29
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-4-(3-methyl-1,2-thiazol-5-yl)cyclohexan-1-one?
The IUPAC name of 4-hydroxy-4-(3-methyl-1,2-thiazol-5-yl)cyclohexan-1-one (CID 59556124) is 4-hydroxy-4-(3-methyl-1,2-thiazol-5-yl)cyclohexan-1-one.
What is the SMILES notation for 4-hydroxy-4-(3-methyl-1,2-thiazol-5-yl)cyclohexan-1-one?
The canonical SMILES for 4-hydroxy-4-(3-methyl-1,2-thiazol-5-yl)cyclohexan-1-one is Cc1cc(C2(O)CCC(=O)CC2)sn1.
What is the InChIKey of 4-hydroxy-4-(3-methyl-1,2-thiazol-5-yl)cyclohexan-1-one?
The InChIKey is FWTTWWBIHSZGNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO2S/c1-7-6-9(14-11-7)10(13)4-2-8(12)3-5-10/h6,13H,2-5H2,1H3.
What are the key properties of 4-hydroxy-4-(3-methyl-1,2-thiazol-5-yl)cyclohexan-1-one?
4-hydroxy-4-(3-methyl-1,2-thiazol-5-yl)cyclohexan-1-one has a molecular weight of 211.29 g/mol, XLogP of 1.78, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-4-(3-methyl-1,2-thiazol-5-yl)cyclohexan-1-one is sourced from PubChem (CID 59556124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).